SCHEMBL29903314

SCHEMBL29903314

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.68
▸ PTH1R Q03431 8/20 0.66
▸ GLP1R P43220 9/20 0.64
▸ ECE1 P42892 1/20 0.64
▸ MUS81 Q96NY9 1/20 0.64
▸ CXCR4 P61073 1/20 0.63
▸ IL23R Q5VWK5 1/20 0.61
▸ CCKBR P32239 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30635326 0.92 RXFP1 (0.70) RXFP1PTH1RGLP1RECE1MUS81
SCHEMBL31000950 0.91 IL23R (0.69) GLP1RECE1MUS81IL23R
SCHEMBL31093453 0.91 RXFP1 (0.69) RXFP1PTH1RGLP1RECE1MUS81
SCHEMBL30601915 0.91 RXFP1 (0.69) RXFP1PTH1RGLP1RECE1MUS81
SCHEMBL30183270 0.90 RXFP1 (0.70) RXFP1PTH1RGLP1RECE1MUS81
SCHEMBL29462132 0.90 RXFP1 (0.70) RXFP1PTH1RGLP1RECE1MUS81
SCHEMBL30658325 0.90 RXFP1 (0.69) RXFP1PTH1RGLP1RECE1MUS81
SCHEMBL30065622 0.90 GLP1R (0.69) PTH1RGLP1RECE1MUS81IL23R
SCHEMBL29693515 0.90 GLP1R (0.72) RXFP1PTH1RGLP1RECE1MUS81
SCHEMBL30658330 0.89 GLP1R (0.70) RXFP1PTH1RGLP1RECE1MUS81

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107325188-B Construction method and application of CHO cell strain of porcine serum protein fused with porcine circovirus Cap2 protein 唐山怡安生物工程有限公司 2022-08-23 — — CN disclosed
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